ChemSpider 2D Image | N-Methyl-N-{2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl}-beta-alanine | C12H13I3N2O3

N-Methyl-N-{2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl}-β-alanine

  • Molecular FormulaC12H13I3N2O3
  • Average mass613.957 Da
  • Monoisotopic mass613.805969 Da
  • ChemSpider ID43387656

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-Methyl-N-{2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl}-β-alanine [ACD/IUPAC Name]
N-Méthyl-N-{2-oxo-2-[(2,4,6-triiodophényl)amino]éthyl}-β-alanine [French] [ACD/IUPAC Name]
N-Methyl-N-{2-oxo-2-[(2,4,6-triiodphenyl)amino]ethyl}-β-alanin [German] [ACD/IUPAC Name]
β-Alanine, N-methyl-N-[2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.4±0.1 g/cm3
Boiling Point: 623.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 330.9±31.5 °C
Index of Refraction: 1.736
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.91
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.41
Polar Surface Area: 70 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 256.6±3.0 cm3

Click to predict properties on the Chemicalize site


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